Compound Detail
CHEMBL5584169
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CC(C)S(=O)(=O)c1ccccc1Nc1nc(N[C@H]2CC[C@H](N)CC2)ncc1-c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL5584169 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MGAVNJSRYLPSDA-MXVIHJGJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
465.6
MW (Da)
4.75
ALogP
7
HBA
3
HBD
110.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 CHEMBL3116 | IC50 | 5.47 | 5.47 | 3419.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 9 | IC50 | = | 3419.5 | nM | 5.47 | Inhibition of CDK9 (unknown origin) using ULight 4EBP1 peptide as substrate incu... | 39140066 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39140066 | 10.1021/acsmedchemlett.4c00040 | Cyclin-dependent kinase 7 | 1 |
| 39140066 | 10.1021/acsmedchemlett.4c00040 | Cyclin-dependent kinase 9 | 1 |
Data from ChEMBL 36 via Core Engine